3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide

C18H29NO3 — CID 134016715

IUPAC3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C18H29NO3/c1-5-8-9-14(6-2)13-19-18(20)15-10-11-16(21-4)17(12-15)22-7-3/h10-12,14H,5-9,13H2,1-4H3,(H,19,20)
InChIKeyYDXOUWZHEOGNPY-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.04
Rot. Bonds10

About 3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide

3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide (PubChem CID 134016715) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
PubChem CID134016715
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
SMILESCCCCC(CC)CNC(=O)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C18H29NO3/c1-5-8-9-14(6-2)13-19-18(20)15-10-11-16(21-4)17(12-15)22-7-3/h10-12,14H,5-9,13H2,1-4H3,(H,19,20)
InChIKeyYDXOUWZHEOGNPY-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
CID 100546421
(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide
CID 103770448
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
CID 9497344
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
N-[(2S)-2-ethylhexyl]-4-octoxybenzamide
CID 125462791
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide?
The IUPAC name of 3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide (CID 134016715) is 3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide?
The canonical SMILES for 3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide is CCCCC(CC)CNC(=O)c1ccc(OC)c(OCC)c1.
What is the InChIKey of 3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide?
The InChIKey is YDXOUWZHEOGNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-8-9-14(6-2)13-19-18(20)15-10-11-16(21-4)17(12-15)22-7-3/h10-12,14H,5-9,13H2,1-4H3,(H,19,20).
What are the key properties of 3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide?
3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide has a molecular weight of 307.43 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide is sourced from PubChem (CID 134016715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).